› 6ol2

X-ray diffraction
2.1Å resolution

Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening

Released:
DOI: 10.2210/pdb6ol2/pdb
PDB entry 6ol2 coloured by chain, front view.
PDB entry 6ol2 coloured by chain, side view.
PDB entry 6ol2 coloured by chain, top view.
Source organism: Rattus norvegicus
Entry authors: Chlebowicz J, Akella R, Sekulski K, Humphreys JM, Durbacz MZ, He H, Rodan A, Posner B, Goldsmith EJ

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191605 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase WNK1 Chain: A
Molecule details ›
Chain: A
Length: 290 amino acids
Theoretical weight: 33.48 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9JIH7 (Residues: 194-483; Coverage: 14%)
Gene names: Hsn2, Prkwnk1, Wnk1
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand MU7 1 x MU7
Ligand GOL 4 x GOL
Ligand ACT 3 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 38.925Å b: 60.204Å c: 65.502Å
α: 90° β: 93.05° γ: 90°
R-values:
R R work R free
0.205 0.202 0.268
Expression system: Escherichia coli

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